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Author : Earland Grand Hallonquist
Publisher :
ISBN 13 :
Total Pages : 48 pages
Book Rating : 4.:/5 (66 download)
Download or read book Some Aspects of the Electronic Theory Applied to Organic Chemistry written by Earland Grand Hallonquist and published by . This book was released on 1930 with total page 48 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Michael James Steuart Dewar
Publisher :
ISBN 13 :
Total Pages : 356 pages
Book Rating : 4.:/5 (37 download)
Download or read book The Electronic Theory of Organic Chemistry written by Michael James Steuart Dewar and published by . This book was released on 1949 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Ernest R Davidson
Publisher : World Scientific
ISBN 13 : 9814497312
Total Pages : 389 pages
Book Rating : 4.8/5 (144 download)
Download or read book Modern Electronic Structure Theory And Applications In Organic Chemistry written by Ernest R Davidson and published by World Scientific. This book was released on 1997-10-31 with total page 389 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume focuses on the use of quantum theory to understand and explain experiments in organic chemistry. High level ab initio calculations, when properly performed, are useful in making quantitative distinctions between various possible interpretations of structures, reactions and spectra. Chemical reasoning based on simpler quantum models is, however, essential to enumerating the likely possibilities. The simpler models also often suggest the type of wave function likely to be involved in ground and excited states at various points along reaction paths. This preliminary understanding is needed in order to select the appropriate higher level approach since most higher level models are designed to describe improvements to some reasonable zeroth order wave function. Consequently, most of the chapters in this volume begin with experimental facts and model functions and then progress to higher level theory only when quantitative results are required.In the first chapter, Zimmerman discusses a wide variety of thermal and photochemical reactions of organic molecules. Gronert discusses the use of ab initio calculations and experimental facts in deciphering the mechanism of β-elimination reactions in the gas phase. Bettinger et al focus on carbene structures and reactions with comparison of the triplet and singlet states. Next, Hrovat and Borden discuss more general molecules with competitive triplet and singlet contenders for the ground state structure. Cave explains the difficulties and considerations involved with many of the methods and illustrates the difficulties by comparing with the UV spectra of short polyenes. Jordan et al discuss long-range electron transfer using model compounds and model Hamiltonians. Finally, Hiberty discusses the breathing orbital valence bond model as a different approach to introducing the crucial σπ correlation that is known to be important in organic reactions.
Author : Arthur Edward Remick
Publisher :
ISBN 13 :
Total Pages : 490 pages
Book Rating : 4.3/5 (91 download)
Download or read book Electronic Interpretations of Organic Chemistry written by Arthur Edward Remick and published by . This book was released on 1943 with total page 490 pages. Available in PDF, EPUB and Kindle. Book excerpt: Pre-electronic theories of Chemical affinity. Early applications of the electron theory to problems of Organic reactivity. Applications of the electron theory to problems of molecular structure. The generalized concept of oxidation-reduction. Outline of the electronic theory of the english school. Some contributions from the field of Chemical Physics. Some contributions from the field of kinetics. Eletrochemical studies of organic oxidation-reduction reactions. Electron-pairing reactions. The role of the solvent. Electron-sharing displacement reactions.
Author : G. V. Bykov
Publisher : Elsevier
ISBN 13 : 148314951X
Total Pages : 200 pages
Book Rating : 4.4/5 (831 download)
Download or read book Electronic Charges of Bonds in Organic Compounds written by G. V. Bykov and published by Elsevier. This book was released on 2016-07-04 with total page 200 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electronic Charges of Bonds in Organic Compounds discusses trends in the electronic theory of structure and reactivity of organic compounds. This book focuses on simple and diverse methods that calculate the electronic charges of bonds from the results of physical methods of investigation. This text is divided into 10 chapters. In Chapter I, brief information is provided about the work of other research workers on the electronic charges of bonds and organic compounds. Chapters II to VI elaborate on the relationship of the electronic charges of bonds to the physical and physicochemical characteristics of molecules and their structural elements. The relationship between the electronic charges of bonds and chemical properties are explained in Chapters VII to X. This publication provides a good reference for students and researchers conducting work on electronic charges of bonds and reactivity of organic compounds.
Author : M. J. S. Dewar
Publisher :
ISBN 13 :
Total Pages : 0 pages
Book Rating : 4.:/5 (141 download)
Download or read book The electronic theory of organic chemistry written by M. J. S. Dewar and published by . This book was released on 1967 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Hiroshi Suzuki
Publisher : Elsevier
ISBN 13 : 0323145264
Total Pages : 583 pages
Book Rating : 4.3/5 (231 download)
Download or read book Electronic Absorption Spectra and Geometry of Organic Molecules written by Hiroshi Suzuki and published by Elsevier. This book was released on 2012-12-02 with total page 583 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electronic Absorption Spectra and Geometry of Organic Molecules: An Application of Molecular Orbital Theory focuses on electronic absorption spectra of organic compounds and molecules. The book begins with the discussions on molecular spectra, electronic absorption spectra of organic compounds, and practical measures of absorption intensity. The text also focuses on molecular orbital theory and group theory. Molecular state functions; fundamental postulates of quantum theory; representation of symmetry groups; and symmetry operations and symmetry groups are described. The book also discusses shape of absorption bands and geometry of excited electronic states; effect of environment on electronic absorption spectra; and the application of simple LCAO MO method to simple p systems. An evaluation of the parameters used in simple LCAO MO method is presented. The text notes the usefulness and restrictions of simple LCAO MO method in the interpretation of electronic absorption spectra. The correlation between results of simple MO calculation and spectral data in aromatic hydrocarbons, and correlation between results of simple MO calculation and spectral data in conjugated linear polyenes are discussed. The book also looks at MO methods and the relations between electronic absorption spectra and geometry of molecules, biphenyl, styrene, and related compounds. The text is a good source of data for researchers and chemistry students who want to study electronic absorption spectra.
Author : Lennart Eberson
Publisher : Springer Science & Business Media
ISBN 13 : 3642725449
Total Pages : 245 pages
Book Rating : 4.6/5 (427 download)
Download or read book Electron Transfer Reactions in Organic Chemistry written by Lennart Eberson and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 245 pages. Available in PDF, EPUB and Kindle. Book excerpt: The subject of the book is electron transfer reactions in organic chemistry, with the emphasis on mechanistic aspects. The theoretical framework is that of the Marcus theory, well-known from its extensive use in inorganic chemistry. The book deals with definitions of electron transfer, theory of electron transfer reactions (Marcus' and Pross-Shaik's approach) experimental diagnosis of electron transfer reactions, examples from inorganic/organic reactants and purely organic reactants, electro- and photochemical electron transfer, electron transfer catalyzed reactions, connections between electron transfer and polar mechanisms, and applications of electron transfer, such as electrosynthesis of organic chemicals, photochemical energy storage, conducting organic materials and chemiluminescence. The approach is new in so far as no comparable book has been published. The book will be of value to anyone interested in keeping track of developments in physical organic chemistry.
Author : Arvi Rauk
Publisher : John Wiley & Sons
ISBN 13 : 0471461849
Total Pages : 360 pages
Book Rating : 4.4/5 (714 download)
Download or read book Orbital Interaction Theory of Organic Chemistry written by Arvi Rauk and published by John Wiley & Sons. This book was released on 2004-04-07 with total page 360 pages. Available in PDF, EPUB and Kindle. Book excerpt: A practical introduction to orbital interaction theory and its applications in modern organic chemistry Orbital interaction theory is a conceptual construct that lies at the very heart of modern organic chemistry. Comprising a comprehensive set of principles for explaining chemical reactivity, orbital interaction theory originates in a rigorous theory of electronic structure that also provides the basis for the powerful computational models and techniques with which chemists seek to describe and exploit the structures and thermodynamic and kinetic stabilities of molecules. Orbital Interaction Theory of Organic Chemistry, Second Edition introduces students to the fascinating world of organic chemistry at the mechanistic level with a thoroughly self-contained, well-integrated exposition of orbital interaction theory and its applications in modern organic chemistry. Professor Rauk reviews the concepts of symmetry and orbital theory, and explains reactivity in common functional groups and reactive intermediates in terms of orbital interaction theory. Aided by numerous examples and worked problems, he guides readers through basic chemistry concepts, such as acid and base strength, nucleophilicity, electrophilicity, and thermal stability (in terms of orbital interactions), and describes various computational models for describing those interactions. Updated and expanded, this latest edition of Orbital Interaction Theory of Organic Chemistry includes a completely new chapter on organometallics, increased coverage of density functional theory, many new application examples, and worked problems. The text is complemented by an interactive computer program that displays orbitals graphically and is available through a link to a Web site. Orbital Interaction Theory of Organic Chemistry, Second Edition is an excellent text for advanced-level undergraduate and graduate students in organic chemistry. It is also a valuable working resource for professional chemists seeking guidance on interpreting the quantitative data produced by modern computational chemists.
Author : Dorothea Haas
Publisher :
ISBN 13 :
Total Pages : 58 pages
Book Rating : 4.:/5 (978 download)
Download or read book Electron Theory Applied to Organic Chemistry written by Dorothea Haas and published by . This book was released on 1928 with total page 58 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : I.G. Csizmadia
Publisher : Elsevier
ISBN 13 : 1483100863
Total Pages : 388 pages
Book Rating : 4.4/5 (831 download)
Download or read book Theory and Practice of MO Calculations on Organic Molecules written by I.G. Csizmadia and published by Elsevier. This book was released on 2016-06-23 with total page 388 pages. Available in PDF, EPUB and Kindle. Book excerpt: Progress in Theoretical Organic Chemistry, Volume I: Theory and Practice of MO Calculations on Organic Molecules covers the theories, models, and applications of MO calculations. The book is comprised of 15 chapters that are organized into five sections. The first section provides an introductory discourse. The second section covers the theory of closed electronic shells, while the third section tackles the theory of open electronic shells. The practical aspects of MO computations and the formalisms of Roothaan’s SCF theories are also presented in the book. The text will be of great interest to organic chemists whose work involves the utilization of MO calculations on organic molecules.
Author : Richard Whitefield Stott
Publisher :
ISBN 13 :
Total Pages : 132 pages
Book Rating : 4.:/5 (319 download)
Download or read book Electronic Theory and Chemical Reactions written by Richard Whitefield Stott and published by . This book was released on 1947 with total page 132 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : K. Fukui
Publisher : Springer Science & Business Media
ISBN 13 : 3642619177
Total Pages : 141 pages
Book Rating : 4.6/5 (426 download)
Download or read book Theory of Orientation and Stereoselection written by K. Fukui and published by Springer Science & Business Media. This book was released on 2013-04-17 with total page 141 pages. Available in PDF, EPUB and Kindle. Book excerpt: Many organic chemists will agree with me that the old "electronic theory" has for a long time been inadequate for the interpretation of various new findings in chemistry, particularly for those of reactivity. Considering the outstanding progress which has been made during the past 20 years in the interpretation of these facts, aided by the molecular orbital theory, the time has finally come for a new book showing what is within and what is beyond the reach of quantum-chemical methods. It was therefore highly suitable that Dr. F. L. Boschke of the Springer Verlag suggested to me to make a contribution to a volume in the series "Topics in Current Chemistry" in February 1969. The article was published as Vol. 15, No 1 in June 1970. This new book is an expanded version of the article written in 1970. In this present volume several of the most up-to-date findings which have been gained in organic chemistry since then have been added. It is highly probable that a certain "theoretical" design in the experimenta lists' mind may have been the reason for these developments, whether they themselves are aware of it or not. Theory produces new experimental ideas and conversely, a host of experimental data add another vista to new theories. Due to the mutual beneficial effect of theory and experiment this book will always retain its value, although the quantum-chemical approach to the theory of reactivity is, of course, still in the develop mental stage.
Author : George Ingham Brown
Publisher :
ISBN 13 :
Total Pages : 226 pages
Book Rating : 4.U/5 (183 download)
Download or read book An Introduction to Electronic Theories of Organic Chemistry written by George Ingham Brown and published by . This book was released on 1958 with total page 226 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Sir Christopher Ingold
Publisher :
ISBN 13 :
Total Pages : 58 pages
Book Rating : 4.1/5 (316 download)
Download or read book Principles of an Electronic Theory of Organic Reactions written by Sir Christopher Ingold and published by . This book was released on 1934 with total page 58 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : F. M. Menger
Publisher : Springer Science & Business Media
ISBN 13 : 1468436651
Total Pages : 221 pages
Book Rating : 4.4/5 (684 download)
Download or read book Electronic Interpretation of Organic Chemistry written by F. M. Menger and published by Springer Science & Business Media. This book was released on 2013-03-08 with total page 221 pages. Available in PDF, EPUB and Kindle. Book excerpt: Most standard texts in basic organic chemistry require the student to memorize dozens of organic reactions. This is certainly necessary to master the discipline. Unfortunately, most texts do not emphasize why these reactions occur and, just as important, why other reactions that might seem conceivable to the student do not occur. Without this understanding, students tend to forget what they have memorized soon after the course is over. It is the purpose of this book to familiarize the student with the principles governing organic reactivity and to provide a "feel" for organic chemistry that is impossible to secure by memory alone. Digesting the ideas in this book will, we hope, not only explain the common organic reactions but also allow the student to predict the prod ucts and by-products of reactions he has never seen before. Indeed, the creative student might even become capable of designing new reactions as might be required in a complex organic synthesis. In Chapter 1, we cover the basic principles including bonding, nuclear charge, resonance effects, oxidation-reduction, etc. It is a brief discussion, but it nonetheless provides the basis for understanding reaction mechanisms th~t will be treated later on. We highly recommend that this material be reviewed and that the v VI PREFACE problems be worked at the end of the chapter. Answers are given to all problems. In Chapter 2, reaction mechanisms are presented in an increas ing order of difficulty.
Author : Rowland Ivor Reed
Publisher :
ISBN 13 :
Total Pages : 122 pages
Book Rating : 4.E/5 ( download)
Download or read book Organic Chemistry written by Rowland Ivor Reed and published by . This book was released on 1956 with total page 122 pages. Available in PDF, EPUB and Kindle. Book excerpt:
